5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one

C9H15NO2S — CID 91007381

IUPAC5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1CC(O)N(C2CC2C)C1=O
InChIInChI=1S/C9H15NO2S/c1-5-3-6(5)10-8(11)4-7(13-2)9(10)12/h5-8,11H,3-4H2,1-2H3
InChIKeyISLNNSBIGQSQKI-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.68
Rot. Bonds2

About 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one

5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one (PubChem CID 91007381) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one
PubChem CID91007381
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1CC(O)N(C2CC2C)C1=O
InChIInChI=1S/C9H15NO2S/c1-5-3-6(5)10-8(11)4-7(13-2)9(10)12/h5-8,11H,3-4H2,1-2H3
InChIKeyISLNNSBIGQSQKI-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one (CID 91007381) is 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one is CSC1CC(O)N(C2CC2C)C1=O.
What is the InChIKey of 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is ISLNNSBIGQSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-5-3-6(5)10-8(11)4-7(13-2)9(10)12/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one?
5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 201.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-methylcyclopropyl)-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 91007381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).